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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Stromelysin-1' and Ligand = 'BDBM50456788'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Stromelysin-1


(Homo sapiens (Human))
BDBM50456788
PNG
(CHEMBL4212449)
Show SMILES [H][C@@]12CCc3cc(C(C)C)c(cc3[C@@]1(C)CCC[C@@]2(C)C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1F)S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1F |r|
Show InChI InChI=1S/C50H54F2N4O5S/c1-32(2)36-30-35-24-25-45-49(3,26-15-27-50(45,4)48(59)55-42(28-33-16-7-5-8-17-33)46(57)53-40-22-13-11-20-38(40)51)37(35)31-44(36)62(60,61)56-43(29-34-18-9-6-10-19-34)47(58)54-41-23-14-12-21-39(41)52/h5-14,16-23,30-32,42-43,45,56H,15,24-29H2,1-4H3,(H,53,57)(H,54,58)(H,55,59)/t42-,43-,45-,49-,50-/m1/s1
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.53E+4n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP3 (Tyr18 to Cys477 residues) expressed in mouse myeloma cells using Mca-Pro-LeuGly-Leu-Dpa-Ala-Arg-NH2 as substrat...


Eur J Med Chem 138: 979-992 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.020
BindingDB Entry DOI: 10.7270/Q2R49TBN
More data for this
Ligand-Target Pair